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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL2179460
Molecular formula	C98H98F60N18O8P10
IUPAC name	1-[3-[4-[1-[[3-[4-[1-[3,5-bis[[4-[1-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-5-[[4-[1-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-5-methylpyrimidine-2,4-dione;decahexafluorophosphate
Molecular weight	3105.62
Hydrogen bond acceptor	78
Hydrogen bond donor	4
XlogP	None
Synonyms	N/A
Inchi Key	VPHWHXLETYQANF-UHFFFAOYSA-R
Inchi ID	InChI=1S/C98H94N18O8.10F6P/c1-71-63-113(95(121)99-91(71)117)33-5-29-103-37-9-79(10-38-103)83-17-45-107(46-18-83)67-75-57-76(68-108-47-19-84(20-48-108)80-11-39-104(40-12-80)30-6-34-114-64-72(2)92(118)100-96(114)122)60-89(59-75)111-53-25-87(26-54-111)88-27-55-112(56-28-88)90-61-77(69-109-49-21-85(22-50-109)81-13-41-105(42-14-81)31-7-35-115-65-73(3)93(119)101-97(115)123)58-78(62-90)70-110-51-23-86(24-52-110)82-15-43-106(44-16-82)32-8-36-116-66-74(4)94(120)102-98(116)124;101-7(2,3,4,5)6/h9-28,37-66H,5-8,29-36,67-70H2,1-4H3;;;;;;;;;;/q+6;10-1/p+4
PubChem CID	71453764
ChEMBL	CHEMBL2179460
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
360892	C-X-C chemokine receptor type 4	P61073	CXCR4	Homo sapiens (Human)	352
360891	C-X-C chemokine receptor type 5	P32302	CXCR5	Homo sapiens (Human)	372

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